Methyl 2-chloropropionate
Properties
- Molecular formula
- C4H7ClO2
- Molar mass
- 122.55 g/mol
- Exact mass
- 122.0135 Da
- Density
- 1.134 g/mL (at 20 °C)
- Boiling point
- 132.5 °C
- logP
- 0.79Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation90.1% of notifiers
- H319 Causes serious eye irritation95.6% of notifiers
- H335 May cause respiratory irritation87.9% of notifiers
Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
17639-93-9SMILES
COC(=O)C(C)ClInChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-NInChI
InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Propanoic acid, 2-chloro-, methyl ester
- Propionic acid, 2-chloro-, methyl ester
- Methyl α-chloropropionate
- 2-Chloropropionic acid methyl ester
- α-Chloropropionic acid methyl ester
- Methyl 2-chloropropanoate
- 2-Chloropropanoic acid methyl ester
- Methyl α-chloropropanoate
- Methyl (±)-2-chloropropionate
- Methyl DL-α-chloropropionate
- (±)-Methyl α-chloropropionate
- (±)-2-Chloropropionic acid methyl ester
- (±)-Methyl 2-chloropropanoate
- NSC 70983
Work with Methyl 2-chloropropionate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl dichloroacetate116-54-158 % similar
Dimethyl chloromalonate28868-76-058 % similar
Methyl isobutyrate547-63-754 % similar
Dimethyl methylmalonate609-02-954 % similar
Ethyl 2-chloropropionate535-13-754 % similar
Isobutyl (S)-2-chloropropionate83261-15-852 % similar
Methyl 2,3-dichloropropanoate3674-09-748 % similar
Methyl 2-chloroacetoacetate4755-81-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.